4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol

C9H13N5O3 — CID 171879155

IUPAC4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
SMILESCOc1ccc(C(O)C(O)CCN=[N+]=[N-])nn1
InChIInChI=1S/C9H13N5O3/c1-17-8-3-2-6(12-13-8)9(16)7(15)4-5-11-14-10/h2-3,7,9,15-16H,4-5H2,1H3
InChIKeyALJOZPLNATXTDU-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.58
Rot. Bonds6

About 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol

4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol (PubChem CID 171879155) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
PubChem CID171879155
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol
SMILESCOc1ccc(C(O)C(O)CCN=[N+]=[N-])nn1
InChIInChI=1S/C9H13N5O3/c1-17-8-3-2-6(12-13-8)9(16)7(15)4-5-11-14-10/h2-3,7,9,15-16H,4-5H2,1H3
InChIKeyALJOZPLNATXTDU-UHFFFAOYSA-N
XLogP0.58
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-1-(6-chloropyridazin-3-yl)butane-1,2-diol
CID 171880517
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927
4-azido-1-[4-(hydroxymethyl)-2-pyridinyl]butane-1,2-diol
CID 171879244
4-azido-1-(2,4-dimethoxyphenyl)butane-1,2-diol
CID 171879758
4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol
CID 171879327
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958
4-(4-azido-1,2-dihydroxybutyl)-2-methoxybenzonitrile
CID 171879956
1-(6-methoxypyridazin-3-yl)pentan-1-ol
CID 103373456
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
CID 114209890
4-azido-1-(2-fluoro-3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880561

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol (CID 171879155) is 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol is COc1ccc(C(O)C(O)CCN=[N+]=[N-])nn1.
What is the InChIKey of 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol?
The InChIKey is ALJOZPLNATXTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-17-8-3-2-6(12-13-8)9(16)7(15)4-5-11-14-10/h2-3,7,9,15-16H,4-5H2,1H3.
What are the key properties of 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol?
4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol has a molecular weight of 239.24 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(6-methoxypyridazin-3-yl)butane-1,2-diol is sourced from PubChem (CID 171879155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).